CAS Num: 000629-96-9
SMILES : OCCCCCCCCCCCCCCCCCCCC
CHEM   : 1-Eicosanol
MOL FOR: C20 H42 O1 
MOL WT : 298.56
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  8.70

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  377.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  104.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.66E-005  (Modified Grain method)
    MP  (exp database):  66.1 deg C
    BP  (exp database):  372 deg C
    VP  (exp database):  4.52E-08 mm Hg (6.03E-006 Pa) at 25 deg C
    Subcooled liquid VP: 1.15E-007 mm Hg (25 deg C, exp database VP )
                       : 1.54E-005 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.00151
       log Kow used: 8.70 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00063219 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.29E-004  atm-m3/mole  (9.42E+001 Pa-m3/mole)
   Group Method:   2.45E-003  atm-m3/mole  (2.48E+002 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.301E-004 atm-m3/mole  (1.318E+001 Pa-m3/mole)
      VP:   5E-007 mm Hg (source: MPBPVP)
      WS:   0.00151 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.70  (KowWin est)
  Log Kaw used:  -1.420  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.120
      Log Koa (experimental database):  12.060

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8726
   Biowin2 (Non-Linear Model)     :   0.8495
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9977  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8155  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9244
   Biowin6 (MITI Non-Linear Model):   0.9565
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0654
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.53E-005 Pa (1.15E-007 mm Hg)
  Log Koa (Exp database): 12.060
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.196 
       Octanol/air (Koa) model:  0.282 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.876 
       Mackay model           :  0.94 
       Octanol/air (Koa) model:  0.958 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.4988 E-12 cm3/molecule-sec
      Half-Life =     0.363 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.351 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.908 (Junge-Pankow, Mackay avg)
      0.958 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.138E+004  L/kg (MCI method)
      Log Koc:  4.711       (MCI method)
      Koc    :  2.118E+005  L/kg (Kow method)
      Log Koc:  5.326       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.695 (BCF = 495.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0480 days (HL = 11.17 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.638 (BCF = 43.49)
   Log BAF Arnot-Gobas method (upper trophic) = 3.861 (BAF = 7261)
       log Kow used: 8.70 (estimated)

 Volatilization from Water:
    Henry LC:  0.000929 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.852  hours
    Half-Life from Model Lake :        176  hours   (7.333 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.726           8.7          1000       
   Water     22.8            360          1000       
   Soil      75.1            720          1000       
   Sediment  1.33            3.24e+003    0          
     Persistence Time: 489 hr